SCHEMBL5216102

SCHEMBL5216102

O=c1[nH][nH]c(-c2ccncc2)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.61
GSK3B P49841 2/20 0.46
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5215641 0.83 MAPK14 (0.71) MAPK14GSK3BMAPK13RAF1MAPK12
SCHEMBL3555150 0.72 GCGR (0.58) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5215409 0.69 MAP3K14 (0.39) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL6160896 0.67 NPY5R (0.44) MAPK14GSK3BMAPK13RAF1MAPK12
SCHEMBL11778219 0.66 MAPK14 (0.53) MAPK14GSK3BKDM4EALDH1A1CYP3A4
SCHEMBL6909011 0.66 GSK3B (0.56) MAPK14GSK3BKDM4EALDH1A1HPGD
SCHEMBL11843673 0.65 GCGR (0.63) MAPK14GSK3BNPY5RGCGR
SCHEMBL13228296 0.65 IKBKB (0.41) KDM4EMEN1HTTKMT2AUSP2
SCHEMBL6469559 0.64 MAPK13 (0.78) MAPK14GSK3BMAPK13RAF1MAPK12
Hydrochloric Acid SCHEMBL11626830 0.64 GCGR (0.61) MAPK14GSK3BNPY5RGCGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP claimed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US claimed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US claimed
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 MAPK14 1197/4885GSK3B 124/4885MAPK13 967/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.